Monomers

Diallyldimethylammonium chloride

Identifiers

IUPAC name
dimethyl-bis(prop-2-enyl)azanium;chloride
InchI
InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
InchI Key
GQOKIYDTHHZSCJ-UHFFFAOYSA-M
SMILES
C=CC[N+](CC=C)(C)C.[Cl-]
Canonical SMILES
C[N+](C)(CC=C)CC=C.[Cl-]
Isomeric SMILES
C[N+](C)(CC=C)CC=C.[Cl-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H16ClN
Heavy Atom Count
10
Molecular Weight
161.676
Exact Molecular Weight
161.0971
Valence Electrons
60
Radical Electrons
0
tPSA
0.0
MolLogP
-1.5612
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 26 24  0  0  0  0  0  0  0  0999 V2000
    2.6167    1.5132   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740    0.5109   -0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -0.5402    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -0.6606    0.1890 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.5964    0.3335   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618    0.4000   -0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780    1.4989   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -2.0091   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -0.4016    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
    2.9579    2.3240   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    1.5887    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030    0.5125   -1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536   -0.3531    1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9259   -1.4965   -0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781    0.0648   -1.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444    1.3159   -0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549   -0.4773   -0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    2.4197    0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7289    1.5661    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -2.0862   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484   -2.3668    0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -2.7212   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    0.5966    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085   -1.1742    2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3887   -0.3581    1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  4  8  1  0
  4  9  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
  9 26  1  0
M  CHG  2   4   1  10  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers